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- PDB-6wqm: Crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-s... -

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Basic information

Entry
Database: PDB / ID: 6wqm
TitleCrystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase from Bartonella henselae
Components2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
KeywordsTRANSFERASE / SSGCID / Bartonella henselae / 2 / 3 / 4 / 5-tetrahydropyridine-2 / 6-dicarboxylate N-succinyltransferase / dapD / DAP pathway / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease
Function / homology
Function and homology information


2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase / 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase activity / diaminopimelate biosynthetic process / lysine biosynthetic process via diaminopimelate / cytoplasm
Similarity search - Function
Tetrahydrodipicolinate N-succinyltransferase, transferase hexapeptide repeat family / Tetrahydrodipicolinate-N-succinyltransferase, chain A, domain 1 / Tetrahydrodipicolinate-N-succinyltransferase, N-terminal domain superfamily / Tetrahydrodipicolinate N-succinyltransferase N-terminal / Hexapeptide repeat of succinyl-transferase / Hexapeptide transferase, conserved site / Hexapeptide-repeat containing-transferases signature. / Hexapeptide repeat / Bacterial transferase hexapeptide (six repeats) / Trimeric LpxA-like superfamily
Similarity search - Domain/homology
2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
Similarity search - Component
Biological speciesBartonella henselae (bacteria)
MethodX-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.15 Å
AuthorsSeattle Structural Genomics Center for Infectious Disease (SSGCID)
CitationJournal: to be published
Title: Crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase from Bartonella henselae
Authors: Abendroth, J. / Lorimer, D.D. / Horanyi, P.S. / Edwards, T.E.
History
DepositionApr 29, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 13, 2020Provider: repository / Type: Initial release
Revision 1.1Oct 18, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
B: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
C: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
D: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
E: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
F: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)191,43013
Polymers191,1826
Non-polymers2487
Water11,205622
1
A: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
B: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
C: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)95,7337
Polymers95,5913
Non-polymers1424
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10860 Å2
ΔGint-121 kcal/mol
Surface area31080 Å2
MethodPISA
2
D: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
E: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
F: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)95,6976
Polymers95,5913
Non-polymers1063
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10800 Å2
ΔGint-115 kcal/mol
Surface area31730 Å2
MethodPISA
Unit cell
Length a, b, c (Å)68.840, 228.220, 71.190
Angle α, β, γ (deg.)90.000, 120.100, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 3 or (resid 4 and (name...
21(chain B and (resid 3 or (resid 4 and (name...
31(chain C and (resid 3 through 5 or (resid 6...
41(chain D and (resid 3 or (resid 4 and (name...
51(chain E and (resid 3 or (resid 4 and (name...
61(chain F and (resid 3 through 11 or resid 13...

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ASPASPASPASP(chain A and (resid 3 or (resid 4 and (name...AA33
12LEULEULEULEU(chain A and (resid 3 or (resid 4 and (name...AA44
13ASPASPASPASP(chain A and (resid 3 or (resid 4 and (name...AA3 - 2823 - 282
14ASPASPASPASP(chain A and (resid 3 or (resid 4 and (name...AA3 - 2823 - 282
15ASPASPASPASP(chain A and (resid 3 or (resid 4 and (name...AA3 - 2823 - 282
16ASPASPASPASP(chain A and (resid 3 or (resid 4 and (name...AA3 - 2823 - 282
21ASPASPASPASP(chain B and (resid 3 or (resid 4 and (name...BB33
22LEULEULEULEU(chain B and (resid 3 or (resid 4 and (name...BB44
23ASPASPARGARG(chain B and (resid 3 or (resid 4 and (name...BB3 - 2813 - 281
24ASPASPARGARG(chain B and (resid 3 or (resid 4 and (name...BB3 - 2813 - 281
25ASPASPARGARG(chain B and (resid 3 or (resid 4 and (name...BB3 - 2813 - 281
26ASPASPARGARG(chain B and (resid 3 or (resid 4 and (name...BB3 - 2813 - 281
31ASPASPTHRTHR(chain C and (resid 3 through 5 or (resid 6...CC3 - 53 - 5
32GLNGLNGLNGLN(chain C and (resid 3 through 5 or (resid 6...CC66
33THRTHRARGARG(chain C and (resid 3 through 5 or (resid 6...CC2 - 2812 - 281
41ASPASPASPASP(chain D and (resid 3 or (resid 4 and (name...DD33
42LEULEULEULEU(chain D and (resid 3 or (resid 4 and (name...DD44
43THRTHRASPASP(chain D and (resid 3 or (resid 4 and (name...DD2 - 2822 - 282
44THRTHRASPASP(chain D and (resid 3 or (resid 4 and (name...DD2 - 2822 - 282
45THRTHRASPASP(chain D and (resid 3 or (resid 4 and (name...DD2 - 2822 - 282
46THRTHRASPASP(chain D and (resid 3 or (resid 4 and (name...DD2 - 2822 - 282
51ASPASPASPASP(chain E and (resid 3 or (resid 4 and (name...EE33
52LEULEULEULEU(chain E and (resid 3 or (resid 4 and (name...EE44
53THRTHRCLCL(chain E and (resid 3 or (resid 4 and (name...EE - M2 - 3002
54THRTHRCLCL(chain E and (resid 3 or (resid 4 and (name...EE - M2 - 3002
55THRTHRCLCL(chain E and (resid 3 or (resid 4 and (name...EE - M2 - 3002
56THRTHRCLCL(chain E and (resid 3 or (resid 4 and (name...EE - M2 - 3002
61ASPASPILEILE(chain F and (resid 3 through 11 or resid 13...FF3 - 113 - 11
62LYSLYSASPASP(chain F and (resid 3 through 11 or resid 13...FF13 - 1613 - 16
63ASPASPASPASP(chain F and (resid 3 through 11 or resid 13...FF1717
64ASPASPASPASP(chain F and (resid 3 through 11 or resid 13...FF3 - 2823 - 282
65ASPASPASPASP(chain F and (resid 3 through 11 or resid 13...FF3 - 2823 - 282
66ASPASPASPASP(chain F and (resid 3 through 11 or resid 13...FF3 - 2823 - 282
67ASPASPASPASP(chain F and (resid 3 through 11 or resid 13...FF3 - 2823 - 282

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Components

#1: Protein
2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase / Tetrahydrodipicolinate N-succinyltransferase / Tetrahydropicolinate succinylase


Mass: 31863.631 Da / Num. of mol.: 6 / Fragment: BaheA.00606.a.AE1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bartonella henselae (bacteria) / Strain: ATCC 49882 / DSM 28221 / Houston 1 / Gene: dapD, BH00720 / Plasmid: BaheA.00606.a.AE1
Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria)
Strain (production host): BL21(DE3)
References: UniProt: Q6G549, 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
#2: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Cl
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 622 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.53 Å3/Da / Density % sol: 51.49 %
Crystal growTemperature: 290 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: Microlytic MCSG-1 screen, condition B9: 200mM MgCl2, 20% (w/V) PEG 3350: BaheA.00606.a.AE1.PS38599 at 31.38mg/ml, cryo: 20% EG in 2 steps, tray 312827b9, puck ocl1-1

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: ROTATING ANODE / Type: RIGAKU FR-E+ SUPERBRIGHT / Wavelength: 1.5418 Å
DetectorType: RIGAKU SATURN 944+ / Detector: CCD / Date: Jan 8, 2020
RadiationMonochromator: RIGAKU VARIMAX HR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.5418 Å / Relative weight: 1
ReflectionResolution: 2.15→46.89 Å / Num. obs: 101155 / % possible obs: 98.2 % / Redundancy: 12.834 % / Biso Wilson estimate: 40.945 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.09 / Rrim(I) all: 0.093 / Χ2: 1 / Net I/σ(I): 19.06 / Num. measured all: 1298212 / Scaling rejects: 692
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. measured obsNum. possibleNum. unique obsCC1/2Rrim(I) all% possible all
2.15-2.216.5050.3284.8142440758165240.8960.35486.1
2.21-2.277.9350.2716.8956836738271630.930.28997
2.27-2.3310.1710.2548.4172815725671590.9640.26898.7
2.33-2.411.9230.2349.882211698468950.9750.24598.7
2.4-2.4812.5430.2111.0684463678367340.9810.21999.3
2.48-2.5713.1820.19112.4785830656165110.9850.19999.2
2.57-2.6713.6770.16414.7986261633763070.9890.1799.5
2.67-2.7814.1290.14617.1286173612260990.9910.15299.6
2.78-2.914.4540.12819.8683966583058090.9930.13399.6
2.9-3.0414.5780.10923.7581185559155690.9950.11399.6
3.04-3.2114.690.10225.6377812531252970.9950.10599.7
3.21-3.414.6970.09527.6473987505550340.9960.09999.6
3.4-3.6314.7160.08830.3369180472547010.9960.09199.5
3.63-3.9314.6750.08331.9164425440443900.9970.08699.7
3.93-4.314.760.07932.8159865407740560.9970.08299.5
4.3-4.8114.780.07633.4353992367236530.9970.07899.5
4.81-5.5514.8060.07633.0347985326032410.9980.07899.4
5.55-6.814.8640.07532.2640563274327290.9980.07899.5
6.8-9.6214.7650.06533.531361214821240.9990.06898.9
9.62-46.8914.5360.05334.216862119011600.9980.05597.5

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Processing

Software
NameVersionClassification
XDSdata reduction
XSCALEdata scaling
PHENIX1.18rc7refinement
PDB_EXTRACT3.25data extraction
MoRDaphasing
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 3eg4 as per MoRDa

3eg4


Resolution: 2.15→46.89 Å / SU ML: 0.32 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 24.94 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2528 1950 1.93 %0
Rwork0.2061 ---
obs0.207 101149 98.54 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 150.84 Å2 / Biso mean: 46.8224 Å2 / Biso min: 17.66 Å2
Refinement stepCycle: final / Resolution: 2.15→46.89 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12570 0 7 624 13201
Biso mean--35.16 39 -
Num. residues----1681
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00712884
X-RAY DIFFRACTIONf_angle_d0.95517561
X-RAY DIFFRACTIONf_dihedral_angle_d19.5294557
X-RAY DIFFRACTIONf_chiral_restr0.0612031
X-RAY DIFFRACTIONf_plane_restr0.0072274
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A7115X-RAY DIFFRACTION9.699TORSIONAL
12B7115X-RAY DIFFRACTION9.699TORSIONAL
13C7115X-RAY DIFFRACTION9.699TORSIONAL
14D7115X-RAY DIFFRACTION9.699TORSIONAL
15E7115X-RAY DIFFRACTION9.699TORSIONAL
16F7115X-RAY DIFFRACTION9.699TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 14

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.15-2.20.33351670.28316093626086
2.2-2.260.31651500.26416936708697
2.26-2.330.28511630.25377118728199
2.33-2.410.27581810.24297046722799
2.41-2.490.2771870.235470887275100
2.49-2.590.33391240.241471977321100
2.59-2.710.33471060.244171997305100
2.71-2.850.30141190.245371957314100
2.85-3.030.30121190.226472007319100
3.03-3.260.25631140.227972277341100
3.26-3.590.27161190.213271997318100
3.59-4.110.2287960.184172797375100
4.11-5.180.19591500.158471827332100
5.18-46.890.19191550.165672407395100
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
13.3439-1.02810.71630.42610.02443.18730.23290.8074-0.276-0.0375-0.072-0.19140.20911.0093-0.1550.24740.0381-0.01350.6604-0.16410.43486.926-8.03786.6928
22.9572-0.95240.31921.8156-0.57022.46020.0239-0.1913-0.55230.13250.1724-0.06150.36550.8131-0.18840.18510.0515-0.01540.4851-0.0730.43354.2522-10.051620.896
31.3603-0.1961-0.3411.18180.09932.08640.01620.1065-0.38190.0173-0.07740.0296-0.0766-0.05890.04650.13230.013-0.03310.2587-0.04390.3692-10.432-3.481921.1627
41.85230.0105-0.25772.01790.75344.11230.071-0.5513-0.19740.08690.1408-0.401-0.39250.8453-0.18120.2271-0.0535-0.0650.4092-0.02310.35730.53131.85233.2446
54.32131.61411.28032.7331.52940.9105-0.1057-0.5950.00970.24570.2701-0.7442-0.65990.9653-0.03220.5663-0.1889-0.1520.8112-0.12550.5547.956711.22242.474
63.81310.0169-0.20552.7824-0.83841.8198-0.069-0.04110.28920.43790.0406-0.6877-1.12090.56570.10630.7375-0.2331-0.15230.7554-0.04650.43147.629116.62344.3803
75.4228-0.4713-0.76163.97250.56532.9119-0.5306-1.1973-0.42051.30740.2545-0.00390.11340.25750.19410.68560.08920.03440.7690.14290.3036-1.89090.633452.8606
80.02730.09460.03210.41950.12810.0371-0.1607-0.06220.24060.0545-0.03810.2201-0.2443-0.1643-0.17361.0620.54370.12740.48970.37861.0024-32.225835.894312.8746
91.369-0.71360.04082.5734-0.92462.8985-0.08630.30330.3164-0.19770.06060.0704-0.931-0.23160.13230.82620.25080.03110.45980.20850.4714-19.086731.792310.4107
100.91180.114-0.22241.21950.09340.6980.15310.3212-0.0128-0.1893-0.00940.286-0.7719-0.3307-0.08340.44140.1937-0.02580.3590.09250.327-22.107916.352514.5444
112.20890.4866-0.6642.6002-0.44112.09380.39150.02590.1799-0.0154-0.2185-0.374-0.70950.1828-0.16350.5071-0.0115-0.00350.24240.04740.3131-9.112920.005118.5421
124.1593-1.88820.92813.0618-0.13042.7730.04060.01770.43840.34620.1338-0.3381-0.8568-0.0685-0.16840.8062-0.06320.03510.31240.01120.3571-7.751627.711924.2197
132.065-1.8856-0.40014.785-1.08612.7194-0.1958-0.69190.70230.10760.3025-1.1392-0.99590.4001-0.05710.8999-0.2021-0.06360.4388-0.12770.61631.167130.73633.6345
140.702-0.55030.89960.9586-0.86651.2182-0.4056-0.47940.44640.18110.0796-0.3606-1.09560.27850.10330.8824-0.2579-0.12910.8079-0.07250.51242.246929.862339.5598
150.97060.7034-0.29381.40711.12154.0450.6599-0.1084-0.0343-0.0977-0.3286-0.5011-0.77641.1071-0.2030.5766-0.08340.04950.86180.10570.591511.463322.730721.4017
161.91071.6226-1.33326.80272.86286.81620.0534-0.211-0.58490.8921-0.2768-0.38540.7864-0.49380.29040.4608-0.02520.08560.5270.2080.6243-34.6758-10.123949.5154
170.81572.0865-0.83337.78230.12134.6534-0.24030.1791-0.316-0.159-0.08780.3060.4385-0.94160.28190.3232-0.00710.0770.6030.01460.4285-37.9971-3.584842.0089
185.9060.38773.94852.104-0.20355.5599-0.0772-1.48150.03980.607-0.28250.0539-0.7289-0.83780.2860.55050.03370.0990.65340.01170.4227-31.818810.838253.0647
191.8750.1945-0.52081.69590.05462.56720.0869-0.21330.00840.2868-0.05660.2107-0.4195-0.3433-0.01560.26090.07890.02070.29180.02160.3173-27.18276.726136.022
203.89790.320.8065.26663.10141.93510.1201-0.5082-0.11290.42750.2659-0.0741-1.09920.2857-0.25450.7754-0.0969-0.00270.4921-0.11490.3468-13.865320.494247.9462
215.8705-0.3789-0.08461.3781-0.5060.9777-0.3702-0.3960.23190.5980.0622-0.2394-0.74690.23680.22630.92-0.0997-0.12080.6845-0.09670.4395-3.9622.837851.1848
222.817-1.3212-0.08411.98751.69812.01420.1131-0.05831.3043-0.2630.0560.4116-1.5412-0.3647-0.20991.56050.29520.12440.50110.01950.7993-19.773434.492943.6672
234.3485-0.69832.99973.21830.27784.9313-0.211-0.50490.75630.4739-0.08440.3854-0.1293-0.07410.25040.28410.03470.020.3823-0.16870.447122.9234-9.901919.9547
243.22970.9350.07782.53081.37935.83280.1264-0.03350.24550.0125-0.2241-0.00970.0975-0.52860.09030.16790.01180.00280.2729-0.08060.326424.5694-17.469215.5467
251.5675-0.2556-0.34772.2885-0.25881.3416-0.1356-0.08620.0650.18080.00470.17850.3351-0.21750.13360.3101-0.08640.07270.3335-0.10310.236126.727-32.692912.9795
263.4609-1.0947-0.35082.69370.08615.7591-0.0312-0.00760.3337-0.1829-0.01910.0099-0.032-0.21530.03990.1988-0.06660.05490.2425-0.05490.246729.9843-25.6639-2.4806
274.8948-1.451-1.8471.1236-0.4762.21070.19140.150.7029-0.58740.0112-0.4103-0.16860.1038-0.21310.466-0.10160.12050.3712-0.06730.363940.6146-22.6855-16.895
282.39580.12321.55596.24460.62717.56810.40881.0425-0.7106-0.6577-0.11610.4510.6719-1.4108-0.19130.5189-0.0383-0.12330.8388-0.18990.496923.3242-31.9948-20.066
290.60230.37990.59621.11150.66520.6816-0.1103-0.0565-0.1318-0.1017-0.11190.39740.2777-0.35560.3971.0301-0.5320.18210.4273-0.4160.622715.0014-62.8009-3.4353
302.12-1.24910.97412.0672.18136.16320.13090.3453-0.0848-0.54530.0188-0.16850.52320.1631-0.06991.1047-0.32220.38460.6542-0.39390.494331.4055-62.0788-14.4891
311.23210.480.29251.22840.29361.5953-0.08440.0866-0.2838-0.0198-0.09460.02720.776-0.05490.09160.6871-0.11420.13790.2951-0.12480.403432.057-53.55431.3082
322.36820.3817-0.09213.3414-0.09241.9833-0.16010.3064-0.2092-0.3090.09950.00320.4120.0850.10490.5991-0.05480.15530.4109-0.15310.386443.5502-44.893-16.683
331.53240.1534-0.08592.285-0.23152.28440.00520.3585-0.0574-0.901-0.1099-0.12460.2970.05690.16730.6384-0.11830.1860.5346-0.11650.343745.6288-37.4851-22.8488
340.00890.0081-0.0080.0011-0.00050.0017-0.16690.0278-0.5578-0.1392-0.027-0.03610.2201-0.00440.26240.76470.11570.25680.9258-0.17590.761658.0259-51.2839-13.624
352.81550.4577-0.4040.5808-0.84623.3681-0.3742-0.6062-0.64760.71920.3071-1.0660.49110.76820.1480.87190.3049-0.1880.83290.11141.19465.0848-57.466219.1683
362.8215-0.04820.62174.17090.48563.83780.0503-0.3557-0.46850.8020.2819-0.8893-0.10841.0107-0.21080.42630.0419-0.13680.7882-0.03660.521962.7705-43.023118.1619
372.31040.4885-0.8242.0382-0.06151.4283-0.0532-0.2008-0.29890.69270.0596-0.34580.65640.34780.10130.69370.0947-0.03290.4651-0.01710.339646.2659-47.374918.9983
383.41261.2504-0.31522.3089-0.14013.9722-0.0689-0.37580.02370.1877-0.0172-0.28050.18440.52520.01430.34340.0542-0.03060.3939-0.08620.304952.1113-35.908610.3004
396.4916-0.1947-1.25744.695-0.54774.151-0.1736-0.0234-0.5870.13880.269-0.37850.11030.0782-0.06650.3381-0.01550.06950.4176-0.11010.343954.6926-31.04550.6372
404.3374-1.8356-1.41474.1257-1.05283.0253-0.04520.02460.1451-0.98130.0443-0.65170.04920.41320.06320.4863-0.16910.18760.6477-0.16470.407358.7351-29.5433-9.3537
411.2559-0.16982.18061.22560.97896.2257-0.270.66650.0174-0.33440.2135-0.2961-0.16970.8105-0.0190.4238-0.17020.13870.5261-0.11460.437155.6366-28.9062-14.4998
425.81142.9438-0.78875.3381.21812.1609-0.02980.14840.56370.17930.122-0.0661-0.01620.055-0.06410.3268-0.0851-0.04660.4896-0.21420.547553.2976-14.7121.5358
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 3 through 26 )A3 - 26
2X-RAY DIFFRACTION2chain 'A' and (resid 27 through 59 )A27 - 59
3X-RAY DIFFRACTION3chain 'A' and (resid 60 through 148 )A60 - 148
4X-RAY DIFFRACTION4chain 'A' and (resid 149 through 206 )A149 - 206
5X-RAY DIFFRACTION5chain 'A' and (resid 207 through 229 )A207 - 229
6X-RAY DIFFRACTION6chain 'A' and (resid 230 through 265 )A230 - 265
7X-RAY DIFFRACTION7chain 'A' and (resid 266 through 282 )A266 - 282
8X-RAY DIFFRACTION8chain 'B' and (resid 3 through 26 )B3 - 26
9X-RAY DIFFRACTION9chain 'B' and (resid 27 through 59 )B27 - 59
10X-RAY DIFFRACTION10chain 'B' and (resid 60 through 133 )B60 - 133
11X-RAY DIFFRACTION11chain 'B' and (resid 134 through 166 )B134 - 166
12X-RAY DIFFRACTION12chain 'B' and (resid 167 through 206 )B167 - 206
13X-RAY DIFFRACTION13chain 'B' and (resid 207 through 229 )B207 - 229
14X-RAY DIFFRACTION14chain 'B' and (resid 230 through 265 )B230 - 265
15X-RAY DIFFRACTION15chain 'B' and (resid 266 through 281 )B266 - 281
16X-RAY DIFFRACTION16chain 'C' and (resid 2 through 26 )C2 - 26
17X-RAY DIFFRACTION17chain 'C' and (resid 27 through 42 )C27 - 42
18X-RAY DIFFRACTION18chain 'C' and (resid 43 through 59 )C43 - 59
19X-RAY DIFFRACTION19chain 'C' and (resid 60 through 186 )C60 - 186
20X-RAY DIFFRACTION20chain 'C' and (resid 187 through 229 )C187 - 229
21X-RAY DIFFRACTION21chain 'C' and (resid 230 through 265 )C230 - 265
22X-RAY DIFFRACTION22chain 'C' and (resid 266 through 281 )C266 - 281
23X-RAY DIFFRACTION23chain 'D' and (resid 2 through 16 )D2 - 16
24X-RAY DIFFRACTION24chain 'D' and (resid 17 through 59 )D17 - 59
25X-RAY DIFFRACTION25chain 'D' and (resid 60 through 148 )D60 - 148
26X-RAY DIFFRACTION26chain 'D' and (resid 149 through 208 )D149 - 208
27X-RAY DIFFRACTION27chain 'D' and (resid 209 through 265 )D209 - 265
28X-RAY DIFFRACTION28chain 'D' and (resid 266 through 282 )D266 - 282
29X-RAY DIFFRACTION29chain 'E' and (resid 2 through 42 )E2 - 42
30X-RAY DIFFRACTION30chain 'E' and (resid 43 through 59 )E43 - 59
31X-RAY DIFFRACTION31chain 'E' and (resid 60 through 186 )E60 - 186
32X-RAY DIFFRACTION32chain 'E' and (resid 187 through 229 )E187 - 229
33X-RAY DIFFRACTION33chain 'E' and (resid 230 through 265 )E230 - 265
34X-RAY DIFFRACTION34chain 'E' and (resid 266 through 282 )E266 - 282
35X-RAY DIFFRACTION35chain 'F' and (resid 3 through 26 )F3 - 26
36X-RAY DIFFRACTION36chain 'F' and (resid 27 through 59 )F27 - 59
37X-RAY DIFFRACTION37chain 'F' and (resid 60 through 116 )F60 - 116
38X-RAY DIFFRACTION38chain 'F' and (resid 117 through 188 )F117 - 188
39X-RAY DIFFRACTION39chain 'F' and (resid 189 through 208 )F189 - 208
40X-RAY DIFFRACTION40chain 'F' and (resid 209 through 229 )F209 - 229
41X-RAY DIFFRACTION41chain 'F' and (resid 230 through 265 )F230 - 265
42X-RAY DIFFRACTION42chain 'F' and (resid 266 through 282 )F266 - 282

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